basic_info |
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| Product_Name: | 2-HYDROXY-4-((4-[5-(2-METHYL-3-PHENYL-2-PROPEN-1-YLIDENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]BUTANOYL)AMINO)BENZOIC ACID |
| EnglishSynonyms: | 2-HYDROXY-4-((4-[5-(2-METHYL-3-PHENYL-2-PROPEN-1-YLIDENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]BUTANOYL)AMINO)BENZOIC ACID ; ML145 |
| pro_mdlNumber: | MFCD03705956 |
| pro_acceptors: | 7 |
| pro_donors: | 3 |
| pro_smile: | C/C(=C\c1ccccc1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)Nc3ccc(c(c3)O)C(=O)O |
| InChi: | InChI=1S/C24H22N2O5S2/c1-15(12-16-6-3-2-4-7-16)13-20-22(29)26(24(32)33-20)11-5-8-21(28)25-17-9-10-18(23(30)31)19(27)14-17/h2-4,6-7,9-10,12-14,27H,5,8,11H2,1H3,(H,25,28)(H,30,31)/b15-12+,20-13- |
| InChiKey: | InChIKey=COFMYJWNXSFLKQ-QIROLCGISA-N |
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